(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine

C12H21N3 — CID 103092667

IUPAC(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cn(C)nc1C
InChIInChI=1S/C12H21N3/c1-5-8-13-10(2)6-7-12-9-15(4)14-11(12)3/h6-7,9-10,13H,5,8H2,1-4H3/b7-6+
InChIKeyJCPBXWFVGINSDI-VOTSOKGWSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds5

About (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine

(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine (PubChem CID 103092667) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine
PubChem CID103092667
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cn(C)nc1C
InChIInChI=1S/C12H21N3/c1-5-8-13-10(2)6-7-12-9-15(4)14-11(12)3/h6-7,9-10,13H,5,8H2,1-4H3/b7-6+
InChIKeyJCPBXWFVGINSDI-VOTSOKGWSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine
CID 103092834
4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 83094527
N-[1-[1-(1,3-dimethylpyrazol-4-yl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 102806980
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 102803357
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
(E)-4-(4,5-dibromothiophen-2-yl)-N-propylbut-3-en-2-amine
CID 103092752
4-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3-dimethylpyrazole
CID 83094363
(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine
CID 103092879
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82941029
N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine
CID 83094458
3-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 83094821

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine (CID 103092667) is (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1cn(C)nc1C.
What is the InChIKey of (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine?
The InChIKey is JCPBXWFVGINSDI-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-8-13-10(2)6-7-12-9-15(4)14-11(12)3/h6-7,9-10,13H,5,8H2,1-4H3/b7-6+.
What are the key properties of (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine?
(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).